Chemical ID: 5133169

CCc1ccc2cc([nH]c2c1)C(=O)O
Chemical ID:
5133169
Name [?]:
6-ethyl-1H-indole-2-carboxylic acid
SMILES [?]:
CCc1ccc2cc([nH]c2c1)C(=O)O
InChi [?]:
InChI=1/C11H11NO2/c1-2-7-3-4-8-6-10(11(13)14)12-9(8)5-7/h3-6,12H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,11,7,3,6,10,8,12,9,13,14/E:(13,14)/rA:14nCCCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.47944
Area:363.589
Solvation:-1.61028
Coulombic:-40.542
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):2.59

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Descriptor Annotations

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